9-benzhydrylidene-2-ethynylfluorene

C28H17- — CID 101435215

IUPAC9-benzhydrylidene-2-ethynylfluorene
SMILES[C-]#Cc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C28H17/c1-2-20-17-18-24-23-15-9-10-16-25(23)28(26(24)19-20)27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H/q-1
InChIKeyFVDJWESZRYKCBO-UHFFFAOYSA-N
MW353.44 g/mol
LogP6.61
Rot. Bonds2

About 9-benzhydrylidene-2-ethynylfluorene

9-benzhydrylidene-2-ethynylfluorene (PubChem CID 101435215) has the molecular formula C28H17- and a molecular weight of 353.44 g/mol. Its IUPAC name is 9-benzhydrylidene-2-ethynylfluorene.

Molecular Properties

Compound Name9-benzhydrylidene-2-ethynylfluorene
PubChem CID101435215
Molecular FormulaC28H17-
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name9-benzhydrylidene-2-ethynylfluorene
SMILES[C-]#Cc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C28H17/c1-2-20-17-18-24-23-15-9-10-16-25(23)28(26(24)19-20)27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H/q-1
InChIKeyFVDJWESZRYKCBO-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-benzhydrylidene-2-ethynylfluorene?
The IUPAC name of 9-benzhydrylidene-2-ethynylfluorene (CID 101435215) is 9-benzhydrylidene-2-ethynylfluorene.
What is the SMILES notation for 9-benzhydrylidene-2-ethynylfluorene?
The canonical SMILES for 9-benzhydrylidene-2-ethynylfluorene is [C-]#Cc1ccc2c(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1-2.
What is the InChIKey of 9-benzhydrylidene-2-ethynylfluorene?
The InChIKey is FVDJWESZRYKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17/c1-2-20-17-18-24-23-15-9-10-16-25(23)28(26(24)19-20)27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H/q-1.
What are the key properties of 9-benzhydrylidene-2-ethynylfluorene?
9-benzhydrylidene-2-ethynylfluorene has a molecular weight of 353.44 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydrylidene-2-ethynylfluorene is sourced from PubChem (CID 101435215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).